[(1S,4S,5S,6R,9S,10R,11R,12R)-5,6-Dihydroxy-7-(hydroxymethyl)-3,11,14-trimethyl-4-{[(2Z)-2-methyl-2-butenoyl]oxy}-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-11-yl]methyl benzoate

[(1S,4S,5S,6R,9S,10R,11R,12R)-5,6-Dihydroxy-7-(hydroxymethyl)-3,11,14-trimethyl-4-{[(2Z)-2-methyl-2-butenoyl]oxy}-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-11-yl]methyl benzoate

Common Name: [(1S,4S,5S,6R,9S,10R,11R,12R)-5,6-Dihydroxy-7-(hydroxymethyl)-3,11,14-trimethyl-4-{[(2Z)-2-methyl-2-butenoyl]oxy}-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-11-yl]methyl benzoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H38O8/c1-6-17(2)28(36)40-27-18(3)14-31-19(4)12-23-24(22(26(31)35)13-21(15-33)25(34)32(27,31)38)30(23,5)16-39-29(37)20-10-8-7-9-11-20/h6-11,13-14,19,22-25,27,33-34,38H,12,15-16H2,1-5H3/b17-6-/t19-,22+,23-,24+,25-,27+,30-,31+,32+/m1/s1

InChIKey: InChIKey=WDZQMGLXMSFDSW-DVVAAHQGSA-N

Formula: C32H38O8

Molecular Weight: 550.640537

Exact Mass: 550.256668

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Marco, J.A., SanzCervera, J.F., Yuste, A. Phytochemistry (1997) 45, 563-70

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Ingenanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
1 (CH) 131.6
2 (C) 136.2
3 (CH) 82.2
4 (C) 84.9
5 (CH) 76.6
6 (C) 139.7
7 (CH) 127.2
8 (CH) 43.2
9 (C) 205.9
10 (C) 72
11 (CH) 38.4
12 (CH2) 30.9
13 (CH) 24.3
14 (CH) 23.5
15 (C) 27.7
16 (CH3) 24.6
17 (CH2) 66.2
18 (CH3) 16.9
19 (CH3) 15.6
20 (CH2) 67.2
3a (C) 168.4
3b (C) 127.2
3c (CH) 139.8
3d (CH3) 15.9
3ba (CH3) 20.8
17a (C) 166.7
17b (C) 133
17c (CH) 129.6
17d (CH) 130.3
17e (CH) 128.4
17f (CH) 130.3
17g (CH) 129.6